SCHEMBL31455132

SCHEMBL31455132

CCN(Cc1ccc(NC(=O)OC(C)(C)C)cc1)[C@H]1CC[C@H](C(=O)OC)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
DRD2 P14416 1/20 0.39
BCL2 P10415 1/20 0.38
BECN1 Q14457 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MAPK14 Q16539 1/20 0.37
KCNQ4 P56696 2/20 0.36
KCNQ5 Q9NR82 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31455557 0.83 JAK2 (0.42) CYP17A1MEN1KMT2AMMP1MMP2
SCHEMBL31455379 0.81 DRD2 (0.43) CYP17A1DRD2BCL2BECN1PPARG
SCHEMBL31455183 0.80 CYP17A1 (0.46) CYP17A1MEN1KMT2ADRD2NPC1
SCHEMBL31455524 0.79 ALDH1A1 (0.39) MEN1KMT2AMAPT
SCHEMBL28664086 0.75 CYP17A1 (0.47) CYP17A1DRD2NPC1RAB9ANAMPT
SCHEMBL31455512 0.75 CYP17A1 (0.45) CYP17A1MEN1KMT2ADRD2BCL2
SCHEMBL27178925 0.74 EPHX2 (0.45) CYP17A1GPR119
SCHEMBL1543215 0.72 ALDH1A1 (0.51) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL13240737 0.72 ALDH1A1 (0.51) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL22930812 0.72 CYP17A1 (0.57) CYP17A1MMP1MMP2MMP9MMP8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed